# generated using pymatgen data_Be3Si3Ir5Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04848635 _cell_length_b 5.73036255 _cell_length_c 12.17517867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00016742 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3Si3Ir5Ru _chemical_formula_sum 'Be6 Si6 Ir10 Ru2' _cell_volume 282.45555604 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.99999842 0.50000100 0.99436606 1.0 Be Be1 1 0.49996267 0.00000000 0.16435139 1.0 Be Be2 1 0.99996898 0.50000100 0.33333401 1.0 Be Be3 1 0.49999598 0.00000000 0.50232515 1.0 Be Be4 1 0.00013887 0.50000100 0.67229506 1.0 Be Be5 1 0.50002618 0.00000100 0.83333212 1.0 Si Si6 1 0.99999552 0.00000000 0.99289920 1.0 Si Si7 1 0.49992869 0.50000000 0.16556905 1.0 Si Si8 1 0.99993622 0.00000100 0.33333736 1.0 Si Si9 1 0.49999935 0.50000000 0.50110065 1.0 Si Si10 1 0.00005146 0.00000100 0.67375893 1.0 Si Si11 1 0.50005398 0.50000000 0.83332946 1.0 Ir Ir12 1 0.49999197 0.24980554 0.00241385 1.0 Ir Ir13 1 0.49999197 0.75019446 0.00241385 1.0 Ir Ir14 1 0.99994486 0.24936865 0.16765396 1.0 Ir Ir15 1 0.99994486 0.75063135 0.16765396 1.0 Ir Ir16 1 0.49995593 0.25028063 0.33333738 1.0 Ir Ir17 1 0.49995593 0.74972037 0.33333738 1.0 Ir Ir18 1 0.99999790 0.24937250 0.49901656 1.0 Ir Ir19 1 0.99999790 0.75062750 0.49901656 1.0 Ir Ir20 1 0.50004710 0.24980714 0.66424846 1.0 Ir Ir21 1 0.50004610 0.75019386 0.66424846 1.0 Ru Ru22 1 0.00003659 0.25136492 0.83333056 1.0 Ru Ru23 1 0.00003559 0.74863508 0.83333056 1.0